N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine

C17H29NO2 — CID 43108101

IUPACN-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C17H29NO2/c1-5-10-18-14(4)15-8-9-16(19-11-6-2)17(13-15)20-12-7-3/h8-9,13-14,18H,5-7,10-12H2,1-4H3
InChIKeyYVZVORLKCQMEFW-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.32
Rot. Bonds10

About N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine

N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine (PubChem CID 43108101) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
PubChem CID43108101
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C17H29NO2/c1-5-10-18-14(4)15-8-9-16(19-11-6-2)17(13-15)20-12-7-3/h8-9,13-14,18H,5-7,10-12H2,1-4H3
InChIKeyYVZVORLKCQMEFW-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
CID 16777784
(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
CID 114987094
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043
N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
CID 43279496
N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine
CID 114524933
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
CID 66436778
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine (CID 43108101) is N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(OCCC)c(OCCC)c1.
What is the InChIKey of N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine?
The InChIKey is YVZVORLKCQMEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-10-18-14(4)15-8-9-16(19-11-6-2)17(13-15)20-12-7-3/h8-9,13-14,18H,5-7,10-12H2,1-4H3.
What are the key properties of N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine?
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43108101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).