N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine

C18H22ClNO — CID 65125794

IUPACN-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClNO/c1-2-9-20-12-15-5-3-6-16(10-15)13-21-14-17-7-4-8-18(19)11-17/h3-8,10-11,20H,2,9,12-14H2,1H3
InChIKeyAEDXQHBDLXSOGJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.56
Rot. Bonds8

About N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine

N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 65125794) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
PubChem CID65125794
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClNO/c1-2-9-20-12-15-5-3-6-16(10-15)13-21-14-17-7-4-8-18(19)11-17/h3-8,10-11,20H,2,9,12-14H2,1H3
InChIKeyAEDXQHBDLXSOGJ-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.56
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-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
CID 22091512
N-[[3-[(3-chlorophenyl)methoxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457759
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 103490482
N-[[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63485880
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695985
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine (CID 65125794) is N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine is CCCNCc1cccc(COCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is AEDXQHBDLXSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-2-9-20-12-15-5-3-6-16(10-15)13-21-14-17-7-4-8-18(19)11-17/h3-8,10-11,20H,2,9,12-14H2,1H3.
What are the key properties of N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine?
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 65125794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).