N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine

C16H26N2 — CID 63939316

IUPACN-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN(CC)CC2CC2)c1
InChIInChI=1S/C16H26N2/c1-3-17-11-15-6-5-7-16(10-15)13-18(4-2)12-14-8-9-14/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3
InChIKeyXXJXTVFSHDCESW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds8

About N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine

N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 63939316) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID63939316
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN(CC)CC2CC2)c1
InChIInChI=1S/C16H26N2/c1-3-17-11-15-6-5-7-16(10-15)13-18(4-2)12-14-8-9-14/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3
InChIKeyXXJXTVFSHDCESW-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 63940661
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine
CID 102771251
3-[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76996477
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62413210
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704
N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 64521279

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine (CID 63939316) is N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine is CCNCc1cccc(CN(CC)CC2CC2)c1.
What is the InChIKey of N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is XXJXTVFSHDCESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-11-15-6-5-7-16(10-15)13-18(4-2)12-14-8-9-14/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine?
N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 63939316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).