N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine

C18H24N2O — CID 62461060

IUPACN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCN(Cc1ccc(CNC2CC2)cc1)Cc1ccco1
InChIInChI=1S/C18H24N2O/c1-2-20(14-18-4-3-11-21-18)13-16-7-5-15(6-8-16)12-19-17-9-10-17/h3-8,11,17,19H,2,9-10,12-14H2,1H3
InChIKeyZAVHIKBLGZSJLQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.55
Rot. Bonds8

About N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62461060) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID62461060
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCN(Cc1ccc(CNC2CC2)cc1)Cc1ccco1
InChIInChI=1S/C18H24N2O/c1-2-20(14-18-4-3-11-21-18)13-16-7-5-15(6-8-16)12-19-17-9-10-17/h3-8,11,17,19H,2,9-10,12-14H2,1H3
InChIKeyZAVHIKBLGZSJLQ-UHFFFAOYSA-N
XLogP3.55
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62461571
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-(furan-2-ylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62462824
N-[[1-(furan-2-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024468
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 62461060) is N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine is CCN(Cc1ccc(CNC2CC2)cc1)Cc1ccco1.
What is the InChIKey of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is ZAVHIKBLGZSJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-20(14-18-4-3-11-21-18)13-16-7-5-15(6-8-16)12-19-17-9-10-17/h3-8,11,17,19H,2,9-10,12-14H2,1H3.
What are the key properties of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 284.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62461060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).