N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine

C20H20ClNO — CID 2184430

IUPACN-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
SMILESClc1ccc(OCCCNCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H20ClNO/c21-19-11-12-20(18-10-5-4-9-17(18)19)23-14-6-13-22-15-16-7-2-1-3-8-16/h1-5,7-12,22H,6,13-15H2
InChIKeyFDOPSQKOWCDLFO-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.05
Rot. Bonds7

About N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine

N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine (PubChem CID 2184430) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
PubChem CID2184430
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC NameN-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
SMILESClc1ccc(OCCCNCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H20ClNO/c21-19-11-12-20(18-10-5-4-9-17(18)19)23-14-6-13-22-15-16-7-2-1-3-8-16/h1-5,7-12,22H,6,13-15H2
InChIKeyFDOPSQKOWCDLFO-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.05
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

4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine
CID 56689586
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
N-benzyl-3-(4-bromo-2-chlorophenoxy)propan-1-amine;oxalic acid
CID 2935175
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
CID 2181440
N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine
CID 71517727
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
3-(4-chloronaphthalen-1-yl)oxypropanal
CID 63040435
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
CID 63099179
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenoxypropan-1-amine
CID 65021861

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine?
The IUPAC name of N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine (CID 2184430) is N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine.
What is the SMILES notation for N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine?
The canonical SMILES for N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine is Clc1ccc(OCCCNCc2ccccc2)c2ccccc12.
What is the InChIKey of N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine?
The InChIKey is FDOPSQKOWCDLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c21-19-11-12-20(18-10-5-4-9-17(18)19)23-14-6-13-22-15-16-7-2-1-3-8-16/h1-5,7-12,22H,6,13-15H2.
What are the key properties of N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine?
N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine has a molecular weight of 325.84 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine is sourced from PubChem (CID 2184430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).