N,5-diethyl-1-methoxy-5-phenylheptan-4-amine

C18H31NO — CID 115608699

IUPACN,5-diethyl-1-methoxy-5-phenylheptan-4-amine
SMILESCCNC(CCCOC)C(CC)(CC)c1ccccc1
InChIInChI=1S/C18H31NO/c1-5-18(6-2,16-12-9-8-10-13-16)17(19-7-3)14-11-15-20-4/h8-10,12-13,17,19H,5-7,11,14-15H2,1-4H3
InChIKeyRTVLUZSRSHONOJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.15
Rot. Bonds10

About N,5-diethyl-1-methoxy-5-phenylheptan-4-amine

N,5-diethyl-1-methoxy-5-phenylheptan-4-amine (PubChem CID 115608699) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N,5-diethyl-1-methoxy-5-phenylheptan-4-amine.

Molecular Properties

Compound NameN,5-diethyl-1-methoxy-5-phenylheptan-4-amine
PubChem CID115608699
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN,5-diethyl-1-methoxy-5-phenylheptan-4-amine
SMILESCCNC(CCCOC)C(CC)(CC)c1ccccc1
InChIInChI=1S/C18H31NO/c1-5-18(6-2,16-12-9-8-10-13-16)17(19-7-3)14-11-15-20-4/h8-10,12-13,17,19H,5-7,11,14-15H2,1-4H3
InChIKeyRTVLUZSRSHONOJ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,5-diethyl-1-methoxy-5-phenylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-diethyl-1-methoxy-3-phenylpentan-2-amine
CID 79575431
N,3-diethyl-7-methyl-3-phenyloctan-4-amine
CID 63417594
1-cyclopropyl-N,3-diethyl-3-phenylpentan-2-amine
CID 64903846
3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
CID 63644186
N-ethyl-7-methoxy-2-phenylheptan-3-amine
CID 112754792
1-ethoxy-4-ethyl-4-phenylhexan-3-amine
CID 114992855
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523
N-ethyl-4-methoxy-1-(2-methylsulfanylphenyl)butan-1-amine
CID 105054904
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine
CID 114856186
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-1-methoxy-5-phenylheptan-4-amine?
The IUPAC name of N,5-diethyl-1-methoxy-5-phenylheptan-4-amine (CID 115608699) is N,5-diethyl-1-methoxy-5-phenylheptan-4-amine.
What is the SMILES notation for N,5-diethyl-1-methoxy-5-phenylheptan-4-amine?
The canonical SMILES for N,5-diethyl-1-methoxy-5-phenylheptan-4-amine is CCNC(CCCOC)C(CC)(CC)c1ccccc1.
What is the InChIKey of N,5-diethyl-1-methoxy-5-phenylheptan-4-amine?
The InChIKey is RTVLUZSRSHONOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-18(6-2,16-12-9-8-10-13-16)17(19-7-3)14-11-15-20-4/h8-10,12-13,17,19H,5-7,11,14-15H2,1-4H3.
What are the key properties of N,5-diethyl-1-methoxy-5-phenylheptan-4-amine?
N,5-diethyl-1-methoxy-5-phenylheptan-4-amine has a molecular weight of 277.45 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-1-methoxy-5-phenylheptan-4-amine is sourced from PubChem (CID 115608699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).