N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine

C16H26N2 — CID 105346462

IUPACN-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
SMILESCCN(CC)Cc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-18(4-2)13-15-7-5-14(6-8-15)11-12-17-16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyPWJXNBVCYBEMNE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds8

About N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine

N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine (PubChem CID 105346462) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
PubChem CID105346462
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
SMILESCCN(CC)Cc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-18(4-2)13-15-7-5-14(6-8-15)11-12-17-16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyPWJXNBVCYBEMNE-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 107402138
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
4-[2-[(4-ethylcyclohexyl)amino]ethyl]phenol
CID 61238876
N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62419273
N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105348285
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943
N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347778
N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105347883

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine (CID 105346462) is N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine is CCN(CC)Cc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine?
The InChIKey is PWJXNBVCYBEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(4-2)13-15-7-5-14(6-8-15)11-12-17-16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine?
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 105346462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).