N-methyl-5-(2-phenylphenoxy)pentan-1-amine

C18H23NO — CID 3079490

IUPACN-methyl-5-(2-phenylphenoxy)pentan-1-amine
SMILESCNCCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C18H23NO/c1-19-14-8-3-9-15-20-18-13-7-6-12-17(18)16-10-4-2-5-11-16/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3
InChIKeyQBBDCYHPNWUKOX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.12
Rot. Bonds8

About N-methyl-5-(2-phenylphenoxy)pentan-1-amine

N-methyl-5-(2-phenylphenoxy)pentan-1-amine (PubChem CID 3079490) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-5-(2-phenylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(2-phenylphenoxy)pentan-1-amine
PubChem CID3079490
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-5-(2-phenylphenoxy)pentan-1-amine
SMILESCNCCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C18H23NO/c1-19-14-8-3-9-15-20-18-13-7-6-12-17(18)16-10-4-2-5-11-16/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3
InChIKeyQBBDCYHPNWUKOX-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.12
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-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
1-octadecoxy-2-phenylbenzene
CID 70983974
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-phenylphenoxy)pentan-1-amine?
The IUPAC name of N-methyl-5-(2-phenylphenoxy)pentan-1-amine (CID 3079490) is N-methyl-5-(2-phenylphenoxy)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(2-phenylphenoxy)pentan-1-amine?
The canonical SMILES for N-methyl-5-(2-phenylphenoxy)pentan-1-amine is CNCCCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of N-methyl-5-(2-phenylphenoxy)pentan-1-amine?
The InChIKey is QBBDCYHPNWUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19-14-8-3-9-15-20-18-13-7-6-12-17(18)16-10-4-2-5-11-16/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3.
What are the key properties of N-methyl-5-(2-phenylphenoxy)pentan-1-amine?
N-methyl-5-(2-phenylphenoxy)pentan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-phenylphenoxy)pentan-1-amine is sourced from PubChem (CID 3079490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).