N-phenylmethoxyheptan-2-amine

C14H23NO — CID 82709260

IUPACN-phenylmethoxyheptan-2-amine
SMILESCCCCCC(C)NOCc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-4-6-9-13(2)15-16-12-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3
InChIKeyLBXYBZQQASIXKI-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.68
Rot. Bonds8

About N-phenylmethoxyheptan-2-amine

N-phenylmethoxyheptan-2-amine (PubChem CID 82709260) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-phenylmethoxyheptan-2-amine.

Molecular Properties

Compound NameN-phenylmethoxyheptan-2-amine
PubChem CID82709260
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-phenylmethoxyheptan-2-amine
SMILESCCCCCC(C)NOCc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-4-6-9-13(2)15-16-12-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3
InChIKeyLBXYBZQQASIXKI-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
2,2-dimethyl-N-phenylmethoxyheptan-3-amine
CID 15416347
(2R)-N-benzylheptan-2-amine
CID 14923313
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021
2-(phenylmethoxycarbamoyl)heptanoic acid
CID 87592184
N-ethoxyoctan-2-amine
CID 82709858
1-benzylperoxyhexylperoxymethylbenzene
CID 141091564
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
benzyl 3-(phenylmethoxyamino)butanoate
CID 13184090
1-phenylmethoxydecan-1-ol
CID 152749890

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyheptan-2-amine?
The IUPAC name of N-phenylmethoxyheptan-2-amine (CID 82709260) is N-phenylmethoxyheptan-2-amine.
What is the SMILES notation for N-phenylmethoxyheptan-2-amine?
The canonical SMILES for N-phenylmethoxyheptan-2-amine is CCCCCC(C)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxyheptan-2-amine?
The InChIKey is LBXYBZQQASIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-6-9-13(2)15-16-12-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3.
What are the key properties of N-phenylmethoxyheptan-2-amine?
N-phenylmethoxyheptan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyheptan-2-amine is sourced from PubChem (CID 82709260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).