1-(4-methoxyphenyl)heptan-2-amine

C14H23NO — CID 61079044

IUPAC1-(4-methoxyphenyl)heptan-2-amine
SMILESCCCCCC(N)Cc1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-3-4-5-6-13(15)11-12-7-9-14(16-2)10-8-12/h7-10,13H,3-6,11,15H2,1-2H3
InChIKeyOWTOTTATSDGXTG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-methoxyphenyl)heptan-2-amine

1-(4-methoxyphenyl)heptan-2-amine (PubChem CID 61079044) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)heptan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)heptan-2-amine
PubChem CID61079044
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-methoxyphenyl)heptan-2-amine
SMILESCCCCCC(N)Cc1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-3-4-5-6-13(15)11-12-7-9-14(16-2)10-8-12/h7-10,13H,3-6,11,15H2,1-2H3
InChIKeyOWTOTTATSDGXTG-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.15
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

1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
4-(2-aminooctyl)phenol
CID 69403996
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)heptan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)heptan-2-amine (CID 61079044) is 1-(4-methoxyphenyl)heptan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)heptan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)heptan-2-amine is CCCCCC(N)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)heptan-2-amine?
The InChIKey is OWTOTTATSDGXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-6-13(15)11-12-7-9-14(16-2)10-8-12/h7-10,13H,3-6,11,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)heptan-2-amine?
1-(4-methoxyphenyl)heptan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)heptan-2-amine is sourced from PubChem (CID 61079044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).