N-ethyl-2-methyl-1-phenylundecan-1-amine

C20H35N — CID 104845429

IUPACN-ethyl-2-methyl-1-phenylundecan-1-amine
SMILESCCCCCCCCCC(C)C(NCC)c1ccccc1
InChIInChI=1S/C20H35N/c1-4-6-7-8-9-10-12-15-18(3)20(21-5-2)19-16-13-11-14-17-19/h11,13-14,16-18,20-21H,4-10,12,15H2,1-3H3
InChIKeyHCBUSISFNMDKIX-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.11
Rot. Bonds12

About N-ethyl-2-methyl-1-phenylundecan-1-amine

N-ethyl-2-methyl-1-phenylundecan-1-amine (PubChem CID 104845429) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-phenylundecan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-phenylundecan-1-amine
PubChem CID104845429
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-ethyl-2-methyl-1-phenylundecan-1-amine
SMILESCCCCCCCCCC(C)C(NCC)c1ccccc1
InChIInChI=1S/C20H35N/c1-4-6-7-8-9-10-12-15-18(3)20(21-5-2)19-16-13-11-14-17-19/h11,13-14,16-18,20-21H,4-10,12,15H2,1-3H3
InChIKeyHCBUSISFNMDKIX-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.11
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

N,4-diethyl-2-methyl-1-phenyloctan-1-amine
CID 104845466
N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 104845499
(1-bromo-2-methylnonyl)benzene
CID 104846505
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
5-methylundecan-6-ylbenzene
CID 173025924
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-phenyl-N-propan-2-ylundecan-1-amine
CID 65429308
N-(2-phenylpropyl)nonan-2-amine
CID 43130018

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-phenylundecan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-phenylundecan-1-amine (CID 104845429) is N-ethyl-2-methyl-1-phenylundecan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-phenylundecan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-phenylundecan-1-amine is CCCCCCCCCC(C)C(NCC)c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-1-phenylundecan-1-amine?
The InChIKey is HCBUSISFNMDKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-6-7-8-9-10-12-15-18(3)20(21-5-2)19-16-13-11-14-17-19/h11,13-14,16-18,20-21H,4-10,12,15H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-phenylundecan-1-amine?
N-ethyl-2-methyl-1-phenylundecan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 6.11, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-phenylundecan-1-amine is sourced from PubChem (CID 104845429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).