N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane

C20H37ClN2O2 — CID 171620367

IUPACN-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane
SMILESCC.CC.COCCOc1cc(Cl)ccc1CNCC1CCNCC1
InChIInChI=1S/C16H25ClN2O2.2C2H6/c1-20-8-9-21-16-10-15(17)3-2-14(16)12-19-11-13-4-6-18-7-5-13;2*1-2/h2-3,10,13,18-19H,4-9,11-12H2,1H3;2*1-2H3
InChIKeyPPJJPSSEAJKDDO-UHFFFAOYSA-N
MW372.98 g/mol
LogP4.51
Rot. Bonds8

About N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane

N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane (PubChem CID 171620367) has the molecular formula C20H37ClN2O2 and a molecular weight of 372.98 g/mol. Its IUPAC name is N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane.

Molecular Properties

Compound NameN-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane
PubChem CID171620367
Molecular FormulaC20H37ClN2O2
Molecular Weight372.98 g/mol
Exact Mass372.25
IUPAC NameN-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane
SMILESCC.CC.COCCOc1cc(Cl)ccc1CNCC1CCNCC1
InChIInChI=1S/C16H25ClN2O2.2C2H6/c1-20-8-9-21-16-10-15(17)3-2-14(16)12-19-11-13-4-6-18-7-5-13;2*1-2/h2-3,10,13,18-19H,4-9,11-12H2,1H3;2*1-2H3
InChIKeyPPJJPSSEAJKDDO-UHFFFAOYSA-N
XLogP4.51
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.98
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620403
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
CID 171620485
1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
CID 166237713
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66538134
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17159542
N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620349
N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620426
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 171620502
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane?
The IUPAC name of N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane (CID 171620367) is N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane.
What is the SMILES notation for N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane?
The canonical SMILES for N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane is CC.CC.COCCOc1cc(Cl)ccc1CNCC1CCNCC1.
What is the InChIKey of N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane?
The InChIKey is PPJJPSSEAJKDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2.2C2H6/c1-20-8-9-21-16-10-15(17)3-2-14(16)12-19-11-13-4-6-18-7-5-13;2*1-2/h2-3,10,13,18-19H,4-9,11-12H2,1H3;2*1-2H3.
What are the key properties of N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane?
N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane has a molecular weight of 372.98 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane is sourced from PubChem (CID 171620367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).