N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine

C15H24ClNO — CID 63498871

IUPACN-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
SMILESCCCCCOc1ccc(CNC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-5-6-9-18-15-8-7-13(10-14(15)16)11-17-12(2)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyHWLNQISLVWLUJP-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.41
Rot. Bonds8

About N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine

N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine (PubChem CID 63498871) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
PubChem CID63498871
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
SMILESCCCCCOc1ccc(CNC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-5-6-9-18-15-8-7-13(10-14(15)16)11-17-12(2)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyHWLNQISLVWLUJP-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122
6-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702513
N-[(3-bromo-4-octoxyphenyl)methyl]propan-2-amine
CID 63501051
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 63319928
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384780
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
CID 65459381

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine (CID 63498871) is N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine is CCCCCOc1ccc(CNC(C)C)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine?
The InChIKey is HWLNQISLVWLUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-5-6-9-18-15-8-7-13(10-14(15)16)11-17-12(2)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine?
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63498871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).