N-[(4-hexoxyphenyl)methyl]hexan-1-amine

C19H33NO — CID 54807832

IUPACN-[(4-hexoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(OCCCCCC)cc1
InChIInChI=1S/C19H33NO/c1-3-5-7-9-15-20-17-18-11-13-19(14-12-18)21-16-10-8-6-4-2/h11-14,20H,3-10,15-17H2,1-2H3
InChIKeyMXOZHARRLAVSPA-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.32
Rot. Bonds13

About N-[(4-hexoxyphenyl)methyl]hexan-1-amine

N-[(4-hexoxyphenyl)methyl]hexan-1-amine (PubChem CID 54807832) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(4-hexoxyphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(4-hexoxyphenyl)methyl]hexan-1-amine
PubChem CID54807832
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[(4-hexoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(OCCCCCC)cc1
InChIInChI=1S/C19H33NO/c1-3-5-7-9-15-20-17-18-11-13-19(14-12-18)21-16-10-8-6-4-2/h11-14,20H,3-10,15-17H2,1-2H3
InChIKeyMXOZHARRLAVSPA-UHFFFAOYSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.32
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-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
N-[(4-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804818
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-butoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639330
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
N-[(4-butoxyphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491421
2-[(4-octoxyphenyl)methylamino]acetaldehyde
CID 170224550
N-[(4-hexoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 54805408
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431

Frequently Asked Questions

What is the IUPAC name of N-[(4-hexoxyphenyl)methyl]hexan-1-amine?
The IUPAC name of N-[(4-hexoxyphenyl)methyl]hexan-1-amine (CID 54807832) is N-[(4-hexoxyphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(4-hexoxyphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(4-hexoxyphenyl)methyl]hexan-1-amine is CCCCCCNCc1ccc(OCCCCCC)cc1.
What is the InChIKey of N-[(4-hexoxyphenyl)methyl]hexan-1-amine?
The InChIKey is MXOZHARRLAVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-5-7-9-15-20-17-18-11-13-19(14-12-18)21-16-10-8-6-4-2/h11-14,20H,3-10,15-17H2,1-2H3.
What are the key properties of N-[(4-hexoxyphenyl)methyl]hexan-1-amine?
N-[(4-hexoxyphenyl)methyl]hexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.32, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hexoxyphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 54807832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).