3-ethyl-N-methyl-1-phenylheptan-1-amine

C16H27N — CID 63412711

IUPAC3-ethyl-N-methyl-1-phenylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1ccccc1
InChIInChI=1S/C16H27N/c1-4-6-10-14(5-2)13-16(17-3)15-11-8-7-9-12-15/h7-9,11-12,14,16-17H,4-6,10,13H2,1-3H3
InChIKeyWHMGCMYPPDIWAX-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.55
Rot. Bonds8

About 3-ethyl-N-methyl-1-phenylheptan-1-amine

3-ethyl-N-methyl-1-phenylheptan-1-amine (PubChem CID 63412711) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-phenylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-phenylheptan-1-amine
PubChem CID63412711
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-ethyl-N-methyl-1-phenylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1ccccc1
InChIInChI=1S/C16H27N/c1-4-6-10-14(5-2)13-16(17-3)15-11-8-7-9-12-15/h7-9,11-12,14,16-17H,4-6,10,13H2,1-3H3
InChIKeyWHMGCMYPPDIWAX-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
1-[4-(difluoromethoxy)phenyl]-3-ethyl-N-methylheptan-1-amine
CID 115806378
N,4-diethyl-2-methyl-1-phenyloctan-1-amine
CID 104845466
5-ethyl-3-phenylnonan-1-ol
CID 145204155
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 107945200
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825
3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine
CID 113455219
N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946
[(1S)-1-phenylpentyl]hydrazine
CID 124537681

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-phenylheptan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-phenylheptan-1-amine (CID 63412711) is 3-ethyl-N-methyl-1-phenylheptan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-phenylheptan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-phenylheptan-1-amine is CCCCC(CC)CC(NC)c1ccccc1.
What is the InChIKey of 3-ethyl-N-methyl-1-phenylheptan-1-amine?
The InChIKey is WHMGCMYPPDIWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-6-10-14(5-2)13-16(17-3)15-11-8-7-9-12-15/h7-9,11-12,14,16-17H,4-6,10,13H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-1-phenylheptan-1-amine?
3-ethyl-N-methyl-1-phenylheptan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-phenylheptan-1-amine is sourced from PubChem (CID 63412711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).