N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine

C17H21NO — CID 19069340

IUPACN-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO/c1-3-11-18-13-15-7-9-16(10-8-15)19-17-6-4-5-14(2)12-17/h4-10,12,18H,3,11,13H2,1-2H3
InChIKeyOZPPRPVHFLPQED-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.29
Rot. Bonds6

About N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine

N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine (PubChem CID 19069340) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
PubChem CID19069340
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO/c1-3-11-18-13-15-7-9-16(10-8-15)19-17-6-4-5-14(2)12-17/h4-10,12,18H,3,11,13H2,1-2H3
InChIKeyOZPPRPVHFLPQED-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.29
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-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 63942115
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
N-[[4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 63550749
N-[(4-phenoxyphenyl)methyl]pentan-1-amine
CID 10754466
N-[[3-(3-bromophenoxy)phenyl]methyl]propan-1-amine
CID 63943681
N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296977
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282969
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine (CID 19069340) is N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2cccc(C)c2)cc1.
What is the InChIKey of N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine?
The InChIKey is OZPPRPVHFLPQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-11-18-13-15-7-9-16(10-8-15)19-17-6-4-5-14(2)12-17/h4-10,12,18H,3,11,13H2,1-2H3.
What are the key properties of N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine?
N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 19069340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).