N-methoxy-1-phenylhexan-1-amine

C13H21NO — CID 82707077

IUPACN-methoxy-1-phenylhexan-1-amine
SMILESCCCCCC(NOC)c1ccccc1
InChIInChI=1S/C13H21NO/c1-3-4-6-11-13(14-15-2)12-9-7-5-8-10-12/h5,7-10,13-14H,3-4,6,11H2,1-2H3
InChIKeyKIJAQEOEXIRSNW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.46
Rot. Bonds7

About N-methoxy-1-phenylhexan-1-amine

N-methoxy-1-phenylhexan-1-amine (PubChem CID 82707077) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methoxy-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-methoxy-1-phenylhexan-1-amine
PubChem CID82707077
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methoxy-1-phenylhexan-1-amine
SMILESCCCCCC(NOC)c1ccccc1
InChIInChI=1S/C13H21NO/c1-3-4-6-11-13(14-15-2)12-9-7-5-8-10-12/h5,7-10,13-14H,3-4,6,11H2,1-2H3
InChIKeyKIJAQEOEXIRSNW-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.46
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-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
N-pentyl-1-phenyldecan-1-amine
CID 10380274
1-phenylhexylcarbamic acid
CID 21477897
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-(1-phenylpropyl)undecan-6-amine
CID 63477274
1-phenylnonylcarbamic acid
CID 67252081
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
N-(1-phenylpentyl)octan-2-amine
CID 43791089
1-phenyloctylcarbamic acid
CID 90271204
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylhexan-1-amine?
The IUPAC name of N-methoxy-1-phenylhexan-1-amine (CID 82707077) is N-methoxy-1-phenylhexan-1-amine.
What is the SMILES notation for N-methoxy-1-phenylhexan-1-amine?
The canonical SMILES for N-methoxy-1-phenylhexan-1-amine is CCCCCC(NOC)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenylhexan-1-amine?
The InChIKey is KIJAQEOEXIRSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-6-11-13(14-15-2)12-9-7-5-8-10-12/h5,7-10,13-14H,3-4,6,11H2,1-2H3.
What are the key properties of N-methoxy-1-phenylhexan-1-amine?
N-methoxy-1-phenylhexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylhexan-1-amine is sourced from PubChem (CID 82707077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).