(2-heptylphenyl)methanamine

C14H23N — CID 57355618

IUPAC(2-heptylphenyl)methanamine
SMILESCCCCCCCc1ccccc1CN
InChIInChI=1S/C14H23N/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15/h7-8,10-11H,2-6,9,12,15H2,1H3
InChIKeyKKXHZCAGTIWQBL-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.66
Rot. Bonds7

About (2-heptylphenyl)methanamine

(2-heptylphenyl)methanamine (PubChem CID 57355618) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2-heptylphenyl)methanamine.

Molecular Properties

Compound Name(2-heptylphenyl)methanamine
PubChem CID57355618
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2-heptylphenyl)methanamine
SMILESCCCCCCCc1ccccc1CN
InChIInChI=1S/C14H23N/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15/h7-8,10-11H,2-6,9,12,15H2,1H3
InChIKeyKKXHZCAGTIWQBL-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
1,2-dihexylbenzene;hydrate
CID 172833093
1-(2-fluoroethyl)-2-hexylbenzene
CID 141319097
1-ethyl-2-henicosylbenzene
CID 141174443
1,2-didecylbenzene;phosphonous acid
CID 70526437
1-(chloromethyl)-2-decylbenzene
CID 14385709
carbonic acid;1,2-dihexylbenzene
CID 174444225

Frequently Asked Questions

What is the IUPAC name of (2-heptylphenyl)methanamine?
The IUPAC name of (2-heptylphenyl)methanamine (CID 57355618) is (2-heptylphenyl)methanamine.
What is the SMILES notation for (2-heptylphenyl)methanamine?
The canonical SMILES for (2-heptylphenyl)methanamine is CCCCCCCc1ccccc1CN.
What is the InChIKey of (2-heptylphenyl)methanamine?
The InChIKey is KKXHZCAGTIWQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15/h7-8,10-11H,2-6,9,12,15H2,1H3.
What are the key properties of (2-heptylphenyl)methanamine?
(2-heptylphenyl)methanamine has a molecular weight of 205.34 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptylphenyl)methanamine is sourced from PubChem (CID 57355618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).