N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine

C17H28N2 — CID 63940458

IUPACN-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
SMILESCCN(Cc1ccccc1CNC(C)C)CC1CC1
InChIInChI=1S/C17H28N2/c1-4-19(12-15-9-10-15)13-17-8-6-5-7-16(17)11-18-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyWOGYDHJTEPJUMP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds8

About N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine

N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine (PubChem CID 63940458) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
PubChem CID63940458
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
SMILESCCN(Cc1ccccc1CNC(C)C)CC1CC1
InChIInChI=1S/C17H28N2/c1-4-19(12-15-9-10-15)13-17-8-6-5-7-16(17)11-18-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyWOGYDHJTEPJUMP-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463874
2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
CID 103387469
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105347782
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 107402081
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
CID 62417579
3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
CID 63956312
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
N-(cyclopropylmethyl)-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073889

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine (CID 63940458) is N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine is CCN(Cc1ccccc1CNC(C)C)CC1CC1.
What is the InChIKey of N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is WOGYDHJTEPJUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(12-15-9-10-15)13-17-8-6-5-7-16(17)11-18-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine?
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63940458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).