N-[(2-propoxyphenyl)methyl]hexan-1-amine

C16H27NO — CID 29221808

IUPACN-[(2-propoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccccc1OCCC
InChIInChI=1S/C16H27NO/c1-3-5-6-9-12-17-14-15-10-7-8-11-16(15)18-13-4-2/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3
InChIKeyCQVUIOOVTDIFDH-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.15
Rot. Bonds10

About N-[(2-propoxyphenyl)methyl]hexan-1-amine

N-[(2-propoxyphenyl)methyl]hexan-1-amine (PubChem CID 29221808) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-propoxyphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(2-propoxyphenyl)methyl]hexan-1-amine
PubChem CID29221808
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(2-propoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccccc1OCCC
InChIInChI=1S/C16H27NO/c1-3-5-6-9-12-17-14-15-10-7-8-11-16(15)18-13-4-2/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3
InChIKeyCQVUIOOVTDIFDH-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.15
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-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
CID 115566606
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002

Frequently Asked Questions

What is the IUPAC name of N-[(2-propoxyphenyl)methyl]hexan-1-amine?
The IUPAC name of N-[(2-propoxyphenyl)methyl]hexan-1-amine (CID 29221808) is N-[(2-propoxyphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(2-propoxyphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(2-propoxyphenyl)methyl]hexan-1-amine is CCCCCCNCc1ccccc1OCCC.
What is the InChIKey of N-[(2-propoxyphenyl)methyl]hexan-1-amine?
The InChIKey is CQVUIOOVTDIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-6-9-12-17-14-15-10-7-8-11-16(15)18-13-4-2/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3.
What are the key properties of N-[(2-propoxyphenyl)methyl]hexan-1-amine?
N-[(2-propoxyphenyl)methyl]hexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propoxyphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 29221808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).