N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine

C18H29NO2 — CID 106205797

IUPACN-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(OCCOCCC2CC2)cc1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-14-17-5-7-18(8-6-17)21-12-11-20-10-9-16-3-4-16/h5-8,15-16,19H,3-4,9-14H2,1-2H3
InChIKeyXSEAFBCFUKHLAN-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.63
Rot. Bonds11

About N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 106205797) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID106205797
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(OCCOCCC2CC2)cc1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-14-17-5-7-18(8-6-17)21-12-11-20-10-9-16-3-4-16/h5-8,15-16,19H,3-4,9-14H2,1-2H3
InChIKeyXSEAFBCFUKHLAN-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 106205858
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine
CID 102608164
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine
CID 63450563
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 106205797) is N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(OCCOCCC2CC2)cc1.
What is the InChIKey of N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is XSEAFBCFUKHLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)13-19-14-17-5-7-18(8-6-17)21-12-11-20-10-9-16-3-4-16/h5-8,15-16,19H,3-4,9-14H2,1-2H3.
What are the key properties of N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106205797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).