N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine

C16H18ClNO — CID 43282969

IUPACN-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-2-11-18-12-13-7-9-14(10-8-13)19-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3
InChIKeyIWOGGGVTXRGNNM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.63
Rot. Bonds6

About N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine

N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine (PubChem CID 43282969) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
PubChem CID43282969
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-2-11-18-12-13-7-9-14(10-8-13)19-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3
InChIKeyIWOGGGVTXRGNNM-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.63
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-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 63551840
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286
N-[[2-chloro-6-(4-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282834
N-[[4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 63550749
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[4-(2-nitrophenoxy)phenyl]methyl]propan-1-amine
CID 61030640
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43282990
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 116690161
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
N-[(4-phenoxyphenyl)methyl]pentan-1-amine
CID 10754466

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine (CID 43282969) is N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine?
The InChIKey is IWOGGGVTXRGNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-11-18-12-13-7-9-14(10-8-13)19-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine?
N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43282969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).