N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine

C16H25NO — CID 113386847

IUPACN-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC2CC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-4-9-17-13(3)15-7-8-16(12(2)10-15)18-11-14-5-6-14/h7-8,10,13-14,17H,4-6,9,11H2,1-3H3
InChIKeyAWZRVNPZPRPCNO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds7

About N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine

N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine (PubChem CID 113386847) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
PubChem CID113386847
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC2CC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-4-9-17-13(3)15-7-8-16(12(2)10-15)18-11-14-5-6-14/h7-8,10,13-14,17H,4-6,9,11H2,1-3H3
InChIKeyAWZRVNPZPRPCNO-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
CID 62911549
N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
CID 66323711
N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine
CID 114524933
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
N-[1-[3-methyl-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106704787
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
N-[1-[5-bromo-2-(oxan-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62386930
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine (CID 113386847) is N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCC2CC2)c(C)c1.
What is the InChIKey of N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine?
The InChIKey is AWZRVNPZPRPCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-9-17-13(3)15-7-8-16(12(2)10-15)18-11-14-5-6-14/h7-8,10,13-14,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine?
N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 113386847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).