N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine

C16H27NO — CID 81376287

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
SMILESCCCCC(CC)N[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C16H27NO/c1-5-7-10-15(6-2)17-13(3)14-9-8-11-16(12-14)18-4/h8-9,11-13,15,17H,5-7,10H2,1-4H3/t13-,15?/m1/s1
InChIKeyZBIVZYYPCFFVKI-AFYYWNPRSA-N
MW249.40 g/mol
LogP4.31
Rot. Bonds8

About N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine

N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine (PubChem CID 81376287) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
PubChem CID81376287
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
SMILESCCCCC(CC)N[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C16H27NO/c1-5-7-10-15(6-2)17-13(3)14-9-8-11-16(12-14)18-4/h8-9,11-13,15,17H,5-7,10H2,1-4H3/t13-,15?/m1/s1
InChIKeyZBIVZYYPCFFVKI-AFYYWNPRSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
CID 81382746
N-[1-(3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226889
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide
CID 81373743
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine (CID 81376287) is N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine is CCCCC(CC)N[C@H](C)c1cccc(OC)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine?
The InChIKey is ZBIVZYYPCFFVKI-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-7-10-15(6-2)17-13(3)14-9-8-11-16(12-14)18-4/h8-9,11-13,15,17H,5-7,10H2,1-4H3/t13-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine?
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine is sourced from PubChem (CID 81376287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).